3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole

C54H37NO — CID 87171539

About 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole

3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole (PubChem CID 87171539) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
• PubChem CID: 87171539
• Molecular Formula: C54H37NO
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.29
• IUPAC Name: 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole
• SMILES: c1cc2c(c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)cc4)c4ccccc34)c1)CCCC2
• InChI: InChI=1S/C54H37NO/c1-2-15-38-34(13-1)14-11-23-42(38)53-45-20-5-3-18-43(45)52(44-19-4-6-21-46(44)53)35-27-30-37(31-28-35)55-49-25-9-7-16-40(49)48-33-36(29-32-50(48)55)39-22-12-24-47-41-17-8-10-26-51(41)56-54(39)47/h3-12,14,16-33H,1-2,13,15H2
• InChIKey: YNEXFMYNWCDUJO-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole (CID 87171539) is 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole is c1cc2c(c(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)cc4)c4ccccc34)c1)CCCC2.

What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

The InChIKey is YNEXFMYNWCDUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-2-15-38-34(13-1)14-11-23-42(38)53-45-20-5-3-18-43(45)52(44-19-4-6-21-46(44)53)35-27-30-37(31-28-35)55-49-25-9-7-16-40(49)48-33-36(29-32-50(48)55)39-22-12-24-47-41-17-8-10-26-51(41)56-54(39)47/h3-12,14,16-33H,1-2,13,15H2.

What are the key properties of 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole?

3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 715.90 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-4-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 87171539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).